(2-butylbenzimidazol-1-yl)methyl 3-nitrobenzoate

Systemtic Name: (2-butylbenzimidazol-1-yl)methyl 3-nitrobenzoate Openeye Name: (2-butylbenzimidazol-1-yl)methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (2-butyl-1-benzimidazolyl)methyl ester IUPAC Name: (2-butylbenzimidazol-1-yl)methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (2-butylbenzimidazol-1-yl)methyl ester Formula: C19H19N3O4 MolecularWeight: 353.37186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2N1COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2N1COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O4/c1-2-3-11-18-20-16-9-4-5-10-17(16)21(18)13-26-19(23)14-7-6-8-15(12-14)22(24)25/h4-10,12H,2-3,11,13H2,1H3